2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C11H15N5O2S — CID 55168721

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCCNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C11H15N5O2S/c1-4-12-10-8(13-15-19-10)5-16-11(18)7(3)6(2)9(17)14-16/h12H,4-5H2,1-3H3,(H,14,17)
InChIKeyHAEVVFRIQIOMHO-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.49
Rot. Bonds4

About 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 55168721) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID55168721
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCCNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C11H15N5O2S/c1-4-12-10-8(13-15-19-10)5-16-11(18)7(3)6(2)9(17)14-16/h12H,4-5H2,1-3H3,(H,14,17)
InChIKeyHAEVVFRIQIOMHO-UHFFFAOYSA-N
XLogP0.49
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
CID 55046242
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
CID 55159380
2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168720
2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
CID 62208681
2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
CID 62208855
4,5-dimethyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
CID 63271357
4,5-dimethyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
CID 63271396
2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271567
5-Methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
CID 106549006
5-Methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
CID 106549020
2-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-methylpyridazin-3-one
CID 106549040

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 55168721) is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is CCNc1snnc1Cn1[nH]c(=O)c(C)c(C)c1=O.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is HAEVVFRIQIOMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-4-12-10-8(13-15-19-10)5-16-11(18)7(3)6(2)9(17)14-16/h12H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 281.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 55168721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).